Structure Type 063: PbBi2Nb2O9 (Aurivillius phase)
(O red, Bi pink, Pb blue, Nb black; slightly more than one unit cell is shown)
Crystal Structure Data
Spacegroup Symbol: |
A 21 a m |
Origin Offset: |
(none) |
Lattice Type: |
A |
Unit Cell Parameters |
|||||
a [A] |
b [A] |
c [A] |
alpha [deg] |
beta [deg] |
gamma [deg] |
5.5030 |
5.4950 |
25.5310 |
90.000 |
90.000 |
90.000 |
Fractional Coordinates of Atoms in the Asymmetric Unit |
||||
Site Label |
Element |
x |
y |
z |
Bi |
Bi |
0.2662 |
0.7420 |
0.2013 |
Nb |
Nb |
0.2776 |
0.7435 |
0.4115 |
O(1) |
O |
0.3092 |
0.1936 |
0.0000 |
O(2) |
O |
0.3034 |
0.2751 |
0.1593 |
O(3) |
O |
0.5236 |
0.4977 |
0.2473 |
O(4) |
O |
0.5283 |
0.0270 |
0.5715 |
O(5) |
O |
0.5967 |
0.5457 |
0.5846 |
Pb(1) |
Pb |
0.2500 |
0.2693 |
0.5000 |
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